methyl 5-[(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate

Systemtic Name: methyl 5-[(3-cyano-4,5,6-trimethyl-pyridin-2-yl)sulfanylmethyl]-2-methyl-furan-3-carboxylate Openeye Name: methyl 5-[(3-cyano-4,5,6-trimethyl-2-pyridyl)sulfanylmethyl]-2-methyl-furan-3-carboxylate CAS Name: 5-[[(3-cyano-4,5,6-trimethyl-2-pyridinyl)thio]methyl]-2-methyl-3-furancarboxylic acid methyl ester IUPAC Name: methyl 5-[(3-cyano-4,5,6-trimethylpyridin-2-yl)sulfanylmethyl]-2-methylfuran-3-carboxylate Traditional Name: 5-[[(3-cyano-4,5,6-trimethyl-2-pyridyl)thio]methyl]-2-methyl-furan-3-carboxylic acid methyl ester Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(C(=C1C)C#N)SCC2=CC(=C(O2)C)C(=O)OC)C

Isomeric SMILES

CC1=C(N=C(C(=C1C)C#N)SCC2=CC(=C(O2)C)C(=O)OC)C

InChI

InChI=1S/C17H18N2O3S/c1-9-10(2)15(7-18)16(19-11(9)3)23-8-13-6-14(12(4)22-13)17(20)21-5/h6H,8H2,1-5H3